Basic information
- Standard SMILES
COc1cc(C(=O)ON=C(C)N)cc([N+](=O)[O-])c1OC- InChIKey
FANCNISIGMSCAT-UHFFFAOYSA-N- Molecular formula
- C11H13N3O6
- Average molar mass
- 283.24 g/mol
Names & identifiers
- Preferred name
- N'-[(3,4-dimethoxy-5-nitrobenzoyl)oxy]acetamidine
- IUPAC
- (1-aminoethylideneamino) 3,4-dimethoxy-5-nitrobenzoate
Names & synonyms
SCHEMBL7375484FANCNISIGMSCAT-UHFFFAOYSA-NN'-[(3,4-dimethoxy-5-nitrobenzoyl)oxy]acetamidineN'-[(3,4-dimethoxy-5-nitrobenzoyl)oxy] acetamidine
Database identifiers
- PubChem CID
- 53789064
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
12 records
Compound notes
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